(5-propan-2-yl-3-thiophen-2-yl-1H-pyrazol-4-yl)methanamine

C11H15N3S — CID 121212364

IUPAC(5-propan-2-yl-3-thiophen-2-yl-1H-pyrazol-4-yl)methanamine
SMILESCC(C)c1[nH]nc(-c2cccs2)c1CN
InChIInChI=1S/C11H15N3S/c1-7(2)10-8(6-12)11(14-13-10)9-4-3-5-15-9/h3-5,7H,6,12H2,1-2H3,(H,13,14)
InChIKeyBAGLYBQARUJKIB-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.72
Rot. Bonds3

About (5-propan-2-yl-3-thiophen-2-yl-1H-pyrazol-4-yl)methanamine

(5-propan-2-yl-3-thiophen-2-yl-1H-pyrazol-4-yl)methanamine (PubChem CID 121212364) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is (5-propan-2-yl-3-thiophen-2-yl-1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-propan-2-yl-3-thiophen-2-yl-1H-pyrazol-4-yl)methanamine
PubChem CID121212364
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name(5-propan-2-yl-3-thiophen-2-yl-1H-pyrazol-4-yl)methanamine
SMILESCC(C)c1[nH]nc(-c2cccs2)c1CN
InChIInChI=1S/C11H15N3S/c1-7(2)10-8(6-12)11(14-13-10)9-4-3-5-15-9/h3-5,7H,6,12H2,1-2H3,(H,13,14)
InChIKeyBAGLYBQARUJKIB-UHFFFAOYSA-N
XLogP2.72
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-5-ethyl-3-thiophen-2-yl-1H-pyrazole
CID 121211408
2-(5-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-yl)ethanamine
CID 39356102
5-methyl-3-thiophen-2-yl-4-(trifluoromethyl)-1H-pyrazole
CID 125457809
5-thiophen-2-yl-2H-triazol-4-amine
CID 54057272
(2-methyl-4-thiophen-2-yl-1H-imidazol-5-yl)methanamine
CID 82281661
(4-methyl-3-thiophen-2-yl-1H-pyrazol-5-yl)boronic acid
CID 67126930
2-N-(6-thiophen-2-ylpyridazin-3-yl)propane-1,2-diamine
CID 116970506
(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine
CID 28709445
5-(aminomethyl)-2-hydrazinyl-3-methyl-6-thiophen-2-ylpyrimidin-4-one
CID 170875448
[1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-5-yl]methanamine
CID 121211109
2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethanamine
CID 59811041
2-(2-propyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanamine
CID 82069570

Frequently Asked Questions

What is the IUPAC name of (5-propan-2-yl-3-thiophen-2-yl-1H-pyrazol-4-yl)methanamine?
The IUPAC name of (5-propan-2-yl-3-thiophen-2-yl-1H-pyrazol-4-yl)methanamine (CID 121212364) is (5-propan-2-yl-3-thiophen-2-yl-1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for (5-propan-2-yl-3-thiophen-2-yl-1H-pyrazol-4-yl)methanamine?
The canonical SMILES for (5-propan-2-yl-3-thiophen-2-yl-1H-pyrazol-4-yl)methanamine is CC(C)c1[nH]nc(-c2cccs2)c1CN.
What is the InChIKey of (5-propan-2-yl-3-thiophen-2-yl-1H-pyrazol-4-yl)methanamine?
The InChIKey is BAGLYBQARUJKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-7(2)10-8(6-12)11(14-13-10)9-4-3-5-15-9/h3-5,7H,6,12H2,1-2H3,(H,13,14).
What are the key properties of (5-propan-2-yl-3-thiophen-2-yl-1H-pyrazol-4-yl)methanamine?
(5-propan-2-yl-3-thiophen-2-yl-1H-pyrazol-4-yl)methanamine has a molecular weight of 221.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-yl-3-thiophen-2-yl-1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 121212364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).